methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate

C19H18N2O4 — CID 29135985

IUPACmethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cn2ccc3cc(OC)ccc32)cc1
InChIInChI=1S/C19H18N2O4/c1-24-16-7-8-17-14(11-16)9-10-21(17)12-18(22)20-15-5-3-13(4-6-15)19(23)25-2/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyMSUOKTZDPRKOIR-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.08
Rot. Bonds5

About methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate

methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate (PubChem CID 29135985) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
PubChem CID29135985
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cn2ccc3cc(OC)ccc32)cc1
InChIInChI=1S/C19H18N2O4/c1-24-16-7-8-17-14(11-16)9-10-21(17)12-18(22)20-15-5-3-13(4-6-15)19(23)25-2/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyMSUOKTZDPRKOIR-UHFFFAOYSA-N
XLogP3.08
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
CID 29127327
2-(5-methoxyindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 29133435
N-tert-butyl-2-(5-methoxyindol-1-yl)acetamide
CID 115582184
2-(5-methoxyindol-1-yl)-N-pyridin-2-ylacetamide
CID 29137208
N-(4-hydroxy-2-methylpentyl)-2-(5-methoxyindol-1-yl)acetamide
CID 111447043
2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide
CID 115582181
(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
CID 39377928
N-(5-bromo-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29139061
N-(5-chloro-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29131192
N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide
CID 110830896
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
5-methoxy-N-(4-methoxyphenyl)indole-1-carboxamide
CID 173299571

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate (CID 29135985) is methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cn2ccc3cc(OC)ccc32)cc1.
What is the InChIKey of methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate?
The InChIKey is MSUOKTZDPRKOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-16-7-8-17-14(11-16)9-10-21(17)12-18(22)20-15-5-3-13(4-6-15)19(23)25-2/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate?
methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate has a molecular weight of 338.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 29135985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).